SCHEMBL5585534

SCHEMBL5585534

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
MAPT P10636 8/20 0.52
NPC1 O15118 8/20 0.52
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
MCL1 Q07820 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 4/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5585498 0.92 MAPT (0.60) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL5585572 0.84 HDAC3 (0.52) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL14601438 0.79 MAPT (0.48) RAB9AMAPTNPC1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5585570 0.78 MAPT (0.48) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL5585795 0.77 MAPT (0.46) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL7040444 0.75 CSNK2A1 (0.68) RAB9AMAPTNPC1KMT2ASMN1; SMN2
Bromide SCHEMBL6832797 0.74 MEN1 (0.69) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL14601436 0.74 MAPT (0.48) RAB9AMAPTNPC1KMT2ASMN1; SMN2
SCHEMBL4408705 0.74 HDAC8 (0.61) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL30828596 0.74 RAB9A (0.78) RAB9AMAPTNPC1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 RAB9A 1736/4885MAPT 4536/4885NPC1 1217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.